SCHEMBL3130144

SCHEMBL3130144

CC1(c2ccc(C=O)cc2)OCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.41
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 1/20 0.38
TYR P14679 1/20 0.38
CYP2A13 Q16696 1/20 0.38
HSD17B10 Q99714 2/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A3 P47895 2/20 0.35
ALDH3A1 P30838 1/20 0.35
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
PABPC1 P11940 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL856168 0.78 ALDH1A1 (0.40) CYP2A6ALDH1A1HSD17B10TSHRLMNA
SCHEMBL22613508 0.76 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL2082178 0.74 LMNA (0.42) ALDH1A1HSD17B10TSHRLMNAMEN1
SCHEMBL3565601 0.73 ALDH1A1 (0.46) CYP2A6ALDH1A1KDM4EHSD17B10ALDH5A1
SCHEMBL4383015 0.73 CYP2A6 (0.39) CYP2A6ALDH1A1KDM4ETYRCYP2A13
SCHEMBL2673169 0.73 CYP2A6 (0.39) CYP2A6ALDH1A1KDM4ETYRCYP2A13
SCHEMBL1166748 0.73 CYP11B1 (0.42) ALDH1A1HSD17B10TSHRLMNAMEN1
SCHEMBL587682 0.72 TAAR1 (0.42) CYP2A6ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL4588500 0.72 ESR2 (0.41) ALDH1A1KDM4ETYRHSD17B10TSHR
SCHEMBL2084415 0.72 LMNA (0.54) CYP2A6ALDH1A1HSD17B10TSHRLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584765-B2 Polycyclic amines as sigma receptor modulators Ecstasy LLC (US) 2023-02-21 US disclosed
CN-110662541-B Polycyclic amines as opioid receptor modulators 王晓冬 2023-02-10 CN disclosed
US-20220411442-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS Ecstasy LLC 2022-12-29 US disclosed
US-10676456-B2 Polycyclic amines as opioid receptor modulators Ecstasy LLC 2020-06-09 US disclosed
CN-110662541-A Polycyclic amines as opioid receptor modulators 王晓冬 2020-01-07 CN disclosed
WO-2018169818-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS WANG XIAODONG (US) 2018-09-20 WO disclosed
US-20180258065-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS Ecstasy LLC 2018-09-13 US disclosed
EP-2143714-B1 TETRAHYDROISOQUINOLINE COMPOUND KOWA CO (JP) 2013-06-05 EP disclosed
US-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
US-6608095-B2 Sulfonylbenzene and sulfonamidobenzene compounds which inhibit COX-2; treatment of a medical condition in which prostaglandins are implicated as pathogens PFIZER INC. 2003-08-19 US disclosed
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2002-04-18 US disclosed
US-6294558-B1 ANTIINFLAMMATORY AGENTS AND PROSTAGLANTINS PFIZER INC. 2001-09-25 US disclosed
EP-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 EP disclosed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 WO disclosed
EP-0555068-B1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1996-04-10 EP disclosed
US-5482966-A LIPOXYGENASE ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 1996-01-09 US disclosed
US-5332757-A Enzyme inhibitors ZENECA LIMITED (GB) 1994-07-26 US disclosed
EP-0581464-A1 Ester derivatives and pharmaceutical compositions containing them ZENECA LIMITED (GB) 1994-02-02 EP disclosed
EP-0555068-A1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1993-08-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10676456-B2 Polycyclic amines as opioid receptor modulators OPRM1, OPRL1, OPRK1 CYP2A6 816/4885ALDH1A1 825/4885KDM4E 2087/4885
US-11584765-B2 Polycyclic amines as sigma receptor modulators OPRM1, SIGMAR1, OPRK1 CYP2A6 912/4885ALDH1A1 1039/4885KDM4E 2502/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 CYP2A6 736/4885ALDH1A1 599/4885KDM4E 2460/4885
US-20180258065-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRK1 CYP2A6 816/4885ALDH1A1 825/4885KDM4E 2087/4885
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND CCR3, CCR5, CCR1 CYP2A6 2912/4885ALDH1A1 2938/4885KDM4E 4420/4885
US-20220411442-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRK1 CYP2A6 816/4885ALDH1A1 825/4885KDM4E 2087/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.